Information card for entry 2205183

Structure parameters

• Chemical name: 1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-ene-1-one
• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• SMILES: O=C(/C=C/c1ccc(OC)cc1)c1ccc(O)cc1
• Title of publication: 1-(4-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• Authors of publication: Sathiya Moorthi, S.; Chinnakali, K.; Nanjundan, S.; Radhika, R.; Fun, Hoong-Kun; Yu, Xiao-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o480 - o482
• a: 13.4346 ± 0.0008 Å
• b: 11.4998 ± 0.0007 Å
• c: 16.6055 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes